2-[3-(2-chloroacetyl)oxyphenyl]acetic acid

C10H9ClO4 — CID 56620307

IUPAC2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(OC(=O)CCl)c1
InChIInChI=1S/C10H9ClO4/c11-6-10(14)15-8-3-1-2-7(4-8)5-9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyALWAZONOTUYBSN-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.46
Rot. Bonds4

About 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid

2-[3-(2-chloroacetyl)oxyphenyl]acetic acid (PubChem CID 56620307) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
PubChem CID56620307
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(OC(=O)CCl)c1
InChIInChI=1S/C10H9ClO4/c11-6-10(14)15-8-3-1-2-7(4-8)5-9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyALWAZONOTUYBSN-UHFFFAOYSA-N
XLogP1.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate
CID 91704655
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
CID 144799433
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-(3-ethenoxyphenyl)acetic acid
CID 88995868
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398096
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid?
The IUPAC name of 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid (CID 56620307) is 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid is O=C(O)Cc1cccc(OC(=O)CCl)c1.
What is the InChIKey of 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid?
The InChIKey is ALWAZONOTUYBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c11-6-10(14)15-8-3-1-2-7(4-8)5-9(12)13/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid?
2-[3-(2-chloroacetyl)oxyphenyl]acetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloroacetyl)oxyphenyl]acetic acid is sourced from PubChem (CID 56620307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).